SCHEMBL4057353

SCHEMBL4057353

CC(C)Cc1ccc(CC=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.48
PTGS2 P35354 4/20 0.48
LMNA P02545 2/20 0.48
CYP2C9 P11712 2/20 0.48
AKR1C3 P42330 2/20 0.48
CXCR1 P25024 2/20 0.48
CXCR2 P25025 2/20 0.48
ALB P02768 1/20 0.48
ESR1 P03372 1/20 0.48
ALOX5 P09917 1/20 0.48
RARB P10826 1/20 0.48
ADRB3 P13945 1/20 0.48
NFKB1 P19838 1/20 0.48
HTR2A P28223 1/20 0.48
NR1I3 Q14994 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
CXCL8 P10145 1/20 0.48
TSHR P16473 1/20 0.48
AKR1C2 P52895 1/20 0.48
BLM P54132 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1131597 0.82 PTGS1 (0.56) PTGS1PTGS2LMNACYP2C9AKR1C3
Acetophenone SCHEMBL22033275 0.81 LMNA (0.49) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL6524021 0.81 ALDH1A1 (0.44) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL9374652 0.80 TSHR (0.39) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL1516646 0.80 GPR84 (0.45) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL31412811 0.79 TSHR (0.66) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL8160137 0.79 ALDH1A1 (0.52) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL225582 0.79 TSHR (0.66) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL44697 0.79 TYR (0.52) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL5174938 0.79 PTGS1 (0.54) PTGS1PTGS2LMNACYP2C9AKR1C3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023073080-A1 PROCESS FOR PREPARING ACYL DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-05-04 WO claimed
CN-115403459-B Preparation method of 1, 4-dicarbonyl compound 广州自远生物科技有限公司 2024-02-27 CN disclosed
WO-2023073080-A1 PROCESS FOR PREPARING ACYL DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-05-04 WO disclosed
EP-3914351-A1 CARBAMATE DERIVATIVES AND USES THEREOF Nodthera Limited (GB) 2021-12-01 EP disclosed
EP-3890879-A1 HIGHLY ACTIVE AND HIGHLY SELECTIVE COPPER EXTRUDATE CATALYSTS BASF CORPORATION (US) 2021-10-13 EP disclosed
WO-2020152361-A1 CARBAMATE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2020-07-30 WO disclosed
WO-2020117532-A1 HIGHLY ACTIVE AND HIGHLY SELECTIVE COPPER EXTRUDATE CATALYSTS BASF CORPORATION (US) 2020-06-11 WO disclosed
WO-2018187717-A1 CONTINUOUS FLOW SYNTHESIS OF IBUPROFEN SRI INTERNATIONAL (US) 2018-10-11 WO disclosed
US-20150183737-A1 COMPOSITIONS AND METHODS FOR SUBSTRATE-SELECTIVE INHIBITION OF ENDOCANNABINOID OXYGENATION NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-07-02 US disclosed
WO-2014015341-A2 COMPOSITIONS AND METHODS FOR SUBSTRATE-SELECTIVE INHIBITION OF ENDOCANNABINOID OXYGENATION VANDERBILT UNIVERSITY (US) 2014-01-23 WO disclosed
WO-2009109998-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed
EP-0350069-B1 METHOD FOR OXIDIZING UNSATURATED AROMATIC COMPOUNDS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1993-03-17 EP disclosed
US-4967009-A REACTING UNSATURATED AROMATIC COMPOUNDS WITH AROMATIC IODOSYL COMPOUNDS TO YIELD AROMATIC ALDEHYDES OR KETONES NIPPON PETROCHEMICALS CO., LTD. (JP) 1990-10-30 US disclosed
US-4621150-A METAL PERHALATE OR SULFONATE OR COMPLEX; GLYCIDATE, 2-HYDROXY-3-BUTENOATE, EPOXIDE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-11-04 US disclosed
EP-0153692-A2 Method for isomerization a glycidate derivative SAGAMI CHEMICAL RESEARCH CENTER (JP) 1985-09-04 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150183737-A1 COMPOSITIONS AND METHODS FOR SUBSTRATE-SELECTIVE INHIBITION OF ENDOCANNABINOID OXYGENATION CNR2, FAAH2, FAAH PTGS1 24/4885PTGS2 8/4885LMNA 3153/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.